P6B

(3S)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-ol

Created:2016-03-15
Last modified:  2016-03-23

Help

Find related ligands:

Chemical Details

Formal Charge0
Atom Count33
Chiral Atom Count1
Bond Count35
Aromatic Bond Count11
2D diagram of P6B

WebGL does not seem to be available.

This can be caused by an outdated browser, graphics card driver issue, or bad weather. Sometimes, just restarting the browser helps. Also, make sure hardware acceleration is enabled in your browser.

For a list of supported browsers, refer to http://caniuse.com/#feat=webgl.

Toggle HydrogenToggle Labels

Chemical Component Summary

Name(3S)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-ol
Systematic Name (OpenEye OEToolkits)(3S)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-ol
FormulaC13 H15 N3 O2
Molecular Weight245.277
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C3CN(Cc1onc(n1)c2ccccc2)CC3O
SMILESCACTVS3.385O[CH]1CCN(C1)Cc2onc(n2)c3ccccc3
SMILESOpenEye OEToolkits1.7.6c1ccc(cc1)c2nc(on2)CN3CCC(C3)O
Canonical SMILESCACTVS3.385 O[C@H]1CCN(C1)Cc2onc(n2)c3ccccc3
Canonical SMILESOpenEye OEToolkits1.7.6 c1ccc(cc1)c2nc(on2)CN3CC[C@@H](C3)O
InChIInChI1.03 InChI=1S/C13H15N3O2/c17-11-6-7-16(8-11)9-12-14-13(15-18-12)10-4-2-1-3-5-10/h1-5,11,17H,6-9H2/t11-/m0/s1
InChIKeyInChI1.03 FQHRNVUXCKTULP-NSHDSACASA-N

Related Resource References

Resource NameReference
PubChem 64116595